C146H195N13O7S3 — CID 159791498
2-(2-butyl-5-propan-2-ylbenzimidazol-1-yl)-N,N-dimethylethanamine;2-(2-butyl-5-propan-2-ylbenzimidazol-1-yl)-N-methylethanamine;cumene;2-(1H-indol-3-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methoxy-4-propan-2-ylbenzene;2-(1-methylindol-3-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine;N-methyl-N-(2-phenylethyl)-3-propan-2-ylbenzenesulfonamide;N-methyl-N-phenyl-3-propan-2-ylbenzenesulfonamide;N-(2-phenylethyl)-3-propan-2-ylbenzenesulfonamide (PubChem CID 159791498) has the molecular formula C146H195N13O7S3 and a molecular weight of 2340.45 g/mol. Its IUPAC name is 2-(2-butyl-5-propan-2-ylbenzimidazol-1-yl)-N,N-dimethylethanamine;2-(2-butyl-5-propan-2-ylbenzimidazol-1-yl)-N-methylethanamine;cumene;2-(1H-indol-3-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methoxy-4-propan-2-ylbenzene;2-(1-methylindol-3-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine;N-methyl-N-(2-phenylethyl)-3-propan-2-ylbenzenesulfonamide;N-methyl-N-phenyl-3-propan-2-ylbenzenesulfonamide;N-(2-phenylethyl)-3-propan-2-ylbenzenesulfonamide.
| Compound Name | 2-(2-butyl-5-propan-2-ylbenzimidazol-1-yl)-N,N-dimethylethanamine;2-(2-butyl-5-propan-2-ylbenzimidazol-1-yl)-N-methylethanamine;cumene;2-(1H-indol-3-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methoxy-4-propan-2-ylbenzene;2-(1-methylindol-3-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine;N-methyl-N-(2-phenylethyl)-3-propan-2-ylbenzenesulfonamide;N-methyl-N-phenyl-3-propan-2-ylbenzenesulfonamide;N-(2-phenylethyl)-3-propan-2-ylbenzenesulfonamide |
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| PubChem CID | 159791498 |
| Molecular Formula | C146H195N13O7S3 |
| Molecular Weight | 2340.45 g/mol |
| Exact Mass | 2338.45 |
| IUPAC Name | 2-(2-butyl-5-propan-2-ylbenzimidazol-1-yl)-N,N-dimethylethanamine;2-(2-butyl-5-propan-2-ylbenzimidazol-1-yl)-N-methylethanamine;cumene;2-(1H-indol-3-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methoxy-4-propan-2-ylbenzene;2-(1-methylindol-3-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine;N-methyl-N-(2-phenylethyl)-3-propan-2-ylbenzenesulfonamide;N-methyl-N-phenyl-3-propan-2-ylbenzenesulfonamide;N-(2-phenylethyl)-3-propan-2-ylbenzenesulfonamide |
| SMILES | CC(C)c1ccc(CNCCc2c[nH]c3ccccc23)cc1.CC(C)c1ccc(CNCCc2cn(C)c3ccccc23)cc1.CC(C)c1cccc(S(=O)(=O)N(C)CCc2ccccc2)c1.CC(C)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1.CC(C)c1cccc(S(=O)(=O)NCCc2ccccc2)c1.CC(C)c1ccccc1.CCCCc1nc2cc(C(C)C)ccc2n1CCN(C)C.CCCCc1nc2cc(C(C)C)ccc2n1CCNC.COc1ccc(C(C)C)cc1 |
| InChI | InChI=1S/C21H26N2.C20H24N2.C18H29N3.C18H23NO2S.C17H27N3.C17H21NO2S.C16H19NO2S.C10H14O.C9H12/c1-16(2)18-10-8-17(9-11-18)14-22-13-12-19-15-23(3)21-7-5-4-6-20(19)21;1-15(2)17-9-7-16(8-10-17)13-21-12-11-18-14-22-20-6-4-3-5-19(18)20;1-6-7-8-18-19-16-13-15(14(2)3)9-10-17(16)21(18)12-11-20(4)5;1-15(2)17-10-7-11-18(14-17)22(20,21)19(3)13-12-16-8-5-4-6-9-16;1-5-6-7-17-19-15-12-14(13(2)3)8-9-16(15)20(17)11-10-18-4;1-14(2)16-9-6-10-17(13-16)21(19,20)18-12-11-15-7-4-3-5-8-15;1-13(2)14-8-7-11-16(12-14)20(18,19)17(3)15-9-5-4-6-10-15;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-6-4-3-5-7-9/h4-11,15-16,22H,12-14H2,1-3H3;3-10,14-15,21-22H,11-13H2,1-2H3;9-10,13-14H,6-8,11-12H2,1-5H3;4-11,14-15H,12-13H2,1-3H3;8-9,12-13,18H,5-7,10-11H2,1-4H3;3-10,13-14,18H,11-12H2,1-2H3;4-13H,1-3H3;4-8H,1-3H3;3-8H,1-2H3 |
| InChIKey | NIPPXCZOZGFNKH-UHFFFAOYSA-N |
| XLogP | 33.31 |
| TPSA | 225.85 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 169 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2340.45 |
| LogP ≤ 5 | 33.31 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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